2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one

C20H17FN4O3 — CID 136881857

IUPAC2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=C(c1ccccc1F)N1CCC(c2nc(-c3ccc[nH]c3=O)cc(=O)[nH]2)C1
InChIInChI=1S/C20H17FN4O3/c21-15-6-2-1-4-13(15)20(28)25-9-7-12(11-25)18-23-16(10-17(26)24-18)14-5-3-8-22-19(14)27/h1-6,8,10,12H,7,9,11H2,(H,22,27)(H,23,24,26)
InChIKeyROLLPIXTKSVNCG-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.89
Rot. Bonds3

About 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one

2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136881857) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one
PubChem CID136881857
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=C(c1ccccc1F)N1CCC(c2nc(-c3ccc[nH]c3=O)cc(=O)[nH]2)C1
InChIInChI=1S/C20H17FN4O3/c21-15-6-2-1-4-13(15)20(28)25-9-7-12(11-25)18-23-16(10-17(26)24-18)14-5-3-8-22-19(14)27/h1-6,8,10,12H,7,9,11H2,(H,22,27)(H,23,24,26)
InChIKeyROLLPIXTKSVNCG-UHFFFAOYSA-N
XLogP1.89
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one
CID 136815683
4-(2-oxo-1H-pyridin-3-yl)-2-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136881792
2-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136869687
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136816122
2-[(3R)-1-(2-methoxybenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136850443
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735563
2-[1-(2-ethoxybenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136881771
2-[(3R)-1-(3,4-difluorobenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136869681
2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682322
2-[(3S)-1-(2,5-dimethoxybenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136735402
2-[1-(2-fluorobenzoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795630
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one (CID 136881857) is 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one is O=C(c1ccccc1F)N1CCC(c2nc(-c3ccc[nH]c3=O)cc(=O)[nH]2)C1.
What is the InChIKey of 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is ROLLPIXTKSVNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-15-6-2-1-4-13(15)20(28)25-9-7-12(11-25)18-23-16(10-17(26)24-18)14-5-3-8-22-19(14)27/h1-6,8,10,12H,7,9,11H2,(H,22,27)(H,23,24,26).
What are the key properties of 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one?
2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 380.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-4-(2-oxo-1H-pyridin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136881857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).